General Information of the Compound
| Compound ID |
CP0557742
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| Compound Name |
1-benzyl-2-methyl-5-(trifluoromethyl)pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C14H12F3NO2
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| Molecular Weight |
283.249
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| Canonical SMILES |
Cc1c(cc(n1Cc1ccccc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C14H12F3NO2/c1-9-11(13(19)20)7-12(14(15,16)17)18(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,19,20)
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| InChIKey |
XLSUVSPYZDJOJG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound